Summary
The stable conformations of N and C protected amino acids of the type: HCONH-CHR-CONH2 of glycine,l-alanine andl-valine have been obtained by fully optimizedab-initio computations with a 3–21G basis set. An original procedure has been devised to extract the side-chain/backbone interaction energy and the backbone and side-chain distortion energies. This enables us to analyze the stabilization/destabilization effects introduced by the side-chain in terms of electrostatic, induction and steric hindrance contributions.
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Dedicated to Dr. A. Pullman
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Viviani, W., Rivail, JL. & Csizmadia, I.G. Peptide models II. Intramolecular interactions and stable conformations of glycine, alanine, and valine peptide analogues. Theoret. Chim. Acta 85, 189–197 (1993). https://doi.org/10.1007/BF01374587
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DOI: https://doi.org/10.1007/BF01374587